4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine

C8H10BrF2N3 — CID 131109808

IUPAC4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine
SMILESNc1nn(CC2CC(F)(F)C2)cc1Br
InChIInChI=1S/C8H10BrF2N3/c9-6-4-14(13-7(6)12)3-5-1-8(10,11)2-5/h4-5H,1-3H2,(H2,12,13)
InChIKeyUWOYXAOKJBUPGX-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.27
Rot. Bonds2

About 4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine

4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine (PubChem CID 131109808) has the molecular formula C8H10BrF2N3 and a molecular weight of 266.09 g/mol. Its IUPAC name is 4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine
PubChem CID131109808
Molecular FormulaC8H10BrF2N3
Molecular Weight266.09 g/mol
Exact Mass265.00
IUPAC Name4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine
SMILESNc1nn(CC2CC(F)(F)C2)cc1Br
InChIInChI=1S/C8H10BrF2N3/c9-6-4-14(13-7(6)12)3-5-1-8(10,11)2-5/h4-5H,1-3H2,(H2,12,13)
InChIKeyUWOYXAOKJBUPGX-UHFFFAOYSA-N
XLogP2.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-1H-pyrazol-3-amine
CID 19619846
4-bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19619546
4-bromo-1-cyclohexyl-1H-pyrazol-3-amine
CID 61177536
4-bromo-1-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazol-5-amine
CID 64754280
4-bromo-1-(difluoromethyl)-1H-pyrazol-3-amine
CID 62900922
1-[(3,3-Difluorocyclobutyl)methyl]-1H-pyrazol-3-amine
CID 130813737
4-bromo-1-(difluoromethyl)-1H-pyrazol-5-amine
CID 154881945
4-Bromo-1-(2,2,3,3-tetrafluoropropyl)-1H-pyrazol-3-amine
CID 19622833
4-Bromo-1-(2,2-difluoroethyl)-1H-pyrazol-3-amine
CID 19622834
4-bromo-1-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine
CID 64553567
4-Bromo-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758416
4-Bromo-1-(2-fluoroethyl)-1H-pyrazol-3-amine
CID 80693754

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine (CID 131109808) is 4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine is Nc1nn(CC2CC(F)(F)C2)cc1Br.
What is the InChIKey of 4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine?
The InChIKey is UWOYXAOKJBUPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2N3/c9-6-4-14(13-7(6)12)3-5-1-8(10,11)2-5/h4-5H,1-3H2,(H2,12,13).
What are the key properties of 4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine?
4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine has a molecular weight of 266.09 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 131109808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).